N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide

C12H24N2O2 — CID 111334118

IUPACN-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
SMILESCCCCCCNC(=O)CN1CC[C@@H](O)C1
InChIInChI=1S/C12H24N2O2/c1-2-3-4-5-7-13-12(16)10-14-8-6-11(15)9-14/h11,15H,2-10H2,1H3,(H,13,16)/t11-/m1/s1
InChIKeyAZMLBAMNFRCFBG-LLVKDONJSA-N
MW228.34 g/mol
LogP0.75
Rot. Bonds7

About N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide

N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide (PubChem CID 111334118) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
PubChem CID111334118
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
SMILESCCCCCCNC(=O)CN1CC[C@@H](O)C1
InChIInChI=1S/C12H24N2O2/c1-2-3-4-5-7-13-12(16)10-14-8-6-11(15)9-14/h11,15H,2-10H2,1H3,(H,13,16)/t11-/m1/s1
InChIKeyAZMLBAMNFRCFBG-LLVKDONJSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
N-(2-hydroxyethyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62943585
N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276
N-dodecyl-2-piperidin-1-ylacetamide
CID 3064220
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511
2-(azepan-1-yl)-N-pentylacetamide
CID 109006030
N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648230
2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide
CID 87014513
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 78930704
N-heptyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 22272726

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide (CID 111334118) is N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide is CCCCCCNC(=O)CN1CC[C@@H](O)C1.
What is the InChIKey of N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
The InChIKey is AZMLBAMNFRCFBG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-4-5-7-13-12(16)10-14-8-6-11(15)9-14/h11,15H,2-10H2,1H3,(H,13,16)/t11-/m1/s1.
What are the key properties of N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 111334118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).